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Add unit conversion in setup()

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This commit is contained in:
Viktor Klippenstein
2020-01-22 17:13:10 +01:00
parent 7728c5069f
commit 0ae40c5967
1 changed files with 4 additions and 4 deletions
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8
src/fix_langevin.cpp
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@ -339,7 +339,7 @@ void FixLangevin::setup(int vflag)
if (rmass) {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = 0.5 * dt / rmass[i];
dtfm = force->ftm2v * 0.5 * dt / rmass[i];
v[i][0] -= dtfm * f[i][0];
v[i][1] -= dtfm * f[i][1];
v[i][2] -= dtfm * f[i][2];
@ -355,7 +355,7 @@ void FixLangevin::setup(int vflag)
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = 0.5 * dt / mass[type[i]];
dtfm = force->ftm2v * 0.5 * dt / mass[type[i]];
v[i][0] -= dtfm * f[i][0];
v[i][1] -= dtfm * f[i][1];
v[i][2] -= dtfm * f[i][2];
@ -389,7 +389,7 @@ void FixLangevin::setup(int vflag)
if (rmass) {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = 0.5 * dt / rmass[i];
dtfm = force->ftm2v * 0.5 * dt / rmass[i];
v[i][0] += dtfm * f[i][0];
v[i][1] += dtfm * f[i][1];
v[i][2] += dtfm * f[i][2];
@ -401,7 +401,7 @@ void FixLangevin::setup(int vflag)
} else {
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
dtfm = 0.5 * dt / mass[type[i]];
dtfm = force->ftm2v * 0.5 * dt / mass[type[i]];
v[i][0] += dtfm * f[i][0];
v[i][1] += dtfm * f[i][1];
v[i][2] += dtfm * f[i][2];